N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-(2,4,6-trimethylphenoxy)ethanamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-2-(2,4,6-trimethylphenoxy)ethanamide Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(2,4,6-trimethylphenoxy)acetamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-2-(2,4,6-trimethylphenoxy)acetamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-2-(2,4,6-trimethylphenoxy)acetamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-2-(2,4,6-trimethylphenoxy)acetamide Formula: C22H31N2O3+ MolecularWeight: 371.49314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OCC(=O)NCC(C2=CC=CO2)[NH+]3CCCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OCC(=O)NC[C@@H](C2=CC=CO2)[NH+]3CCCCC3)C

InChI

InChI=1S/C22H30N2O3/c1-16-12-17(2)22(18(3)13-16)27-15-21(25)23-14-19(20-8-7-11-26-20)24-9-5-4-6-10-24/h7-8,11-13,19H,4-6,9-10,14-15H2,1-3H3,(H,23,25)/p+1/t19-/m0/s1